OpenMX/QMAS workshop 2008

Program of poster session

The poster session will be held from 13:20 to 14:50 in the 2nd day (22th) at the passageway next to the workshop room. The posters can be displayed on the poster board (100cm x 180cm) from the morning of 21th till the end of the poster session.

P-1 A. Tezuka Potential surface of hydrogen atom in LaNi5H
P-2 T.-R. Chang Electronic structure of ferrimagnetic Ca3Co2O6: GGA+U investigations
P-3 H.-R. Fuh Strain induced band structure changes in silicon [110] nanowires: First principle calculations using OpenMX
P-4 H. Jeong Self-consistent determination of on-site Coulomb energy U in ab-initio LCPAO formalism
P-5 H. Yi First-principle calculation of the electronic and geometric structure of the h-BN/Ir(111) interface
P-6 C.-L. Huang Quantum Monte Carlo study of Boron 13 Cluster
P-7 S.-F. Huang First principles study of nitrogen-doped graphite as catalytic materials for fuel cell
P-8 H. Valencia EMIM-BF4 room temperature ionic liquid adsorption on Li surfaces, a DFT study
P-9 H.-L. Huang Calculation of band structure parameters for wurtzite gallium nitride by OpenMX
P-10 K. Sawada Energy Gaps tuning in Graphene Nanoribbons
P-11 K. Sawada First-principles calculation of lattice distortions and exchange interactions in perovskite manganites
P-12 J. Kim Electronic structure and properties of Sr and O vacancies in SrTiO3
P-13 N. W. Kim Electronic Structure of Fe/MgO(001) Interface
P-14 N. A. Tuan Influence of Ligand Substitution on the Electronic Structure and Magnetic Properties of Mn4 Single-Molecule Magnets
P-15 I. Solovyev Orbital Ordering and Magnetic Interactions in BiMnO3
P-16 W. S. Su Electronic properties of C60 inside (10,10) and (17,0) nanotube: A First-Principles Study
P-17 Y. H. Su First Principles Studies of C60 Adsorbing with Anthocyanidins
P-18 N. Taguchi Study of atomic and electronic structure of Pd/Au slab model
P-19 T. Tamura Band-resolved analysis of linear optical properties in silica glass
P-20 M. Toyoda First-principles Study of Magnetic Interaction in Dilute Magnetic Semiconductors
P-21 C. H. Kim Thickness Dependence of Electronic and Magnetic Properties of Ultrathin SrRuO3
P-22 H. Kim Non-Collinear Magnetic Structure and Charge Orderings in NaxCoO2 (For x=1/2 and 1/3)
P-23 M. Otani A new approach to first principles calculation of charged surface/interface
P-24 R. Belkada Atomic and Electronic Structures of Au/Pentacene Interface by First-principles Calculations
P-25 Y. Shiihara Calculation of gauge-independent atomic local stress by using QMAS
P-26 H. Tomono Peierls distortion of endohedral atoms in clathrate I
P-27 A. Sugiyama Transport properties of parallel carbon nanotubes adhered by Pt atom
P-28 V. I. Artyukhov New Phase of Polymeric C60: Double Chains via [2+2] Cycloaddition
P-29 J. Zhou Vibrational property and Raman spectrum of carbon nanoribbon